SCHEMBL12737189

SCHEMBL12737189

CCCC1CCC(c2ccc(OC(=O)C3CCC(c4ccc(OCC)c(F)c4)CC3)c(F)c2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 7/20 0.41
▸ KDM1A O60341 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX15 P16050 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PDE5A O76074 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TPH1 P17752 1/20 0.33
▸ GLA P06280 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12737190 0.94 HPGD (0.39) HPGDKDM1ACYP2C9LMNAALDH1A1
SCHEMBL12737188 0.92 HPGD (0.42) HPGDKDM1ALMNAALOX15NPC1
SCHEMBL12737195 0.91 HPGD (0.41) HPGDKDM1ACYP2C9LMNAALOX15
SCHEMBL12717122 0.91 CYP2C9 (0.39) HPGDCYP2C9LMNAALDH1A1MAPT
SCHEMBL12737182 0.91 CYP2C9 (0.39) HPGDCYP2C9LMNAALDH1A1MAPT
SCHEMBL12737157 0.90 HPGD (0.41) HPGDCYP2C9LMNAALDH1A1MAPT
SCHEMBL12742043 0.90 HPGD (0.41) HPGDCYP2C9LMNAALDH1A1MAPT
SCHEMBL12737196 0.89 HPGD (0.43) HPGDKDM1ALMNAALDH1A1ALOX15
SCHEMBL13586085 0.89 HPGD (0.42) HPGDKDM1ALMNAALOX15NPC1
SCHEMBL12742100 0.89 HPGD (0.38) HPGDKDM1ACYP2C9NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — US disclosed
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 HPGD 4781/4885KDM1A 937/4885CYP2C9 2816/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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